[4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone

C30H30N8O2 — CID 129246058

IUPAC[4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5nc(Cc6ccccc6)no5)cc4[nH]3)c2)CC1
InChIInChI=1S/C30H30N8O2/c39-29(22-6-7-22)38-14-12-37(13-15-38)19-21-10-11-31-26(17-21)35-30-32-24-9-8-23(18-25(24)33-30)28-34-27(36-40-28)16-20-4-2-1-3-5-20/h1-5,8-11,17-18,22H,6-7,12-16,19H2,(H2,31,32,33,35)
InChIKeyBBJKWMWDZPNRCH-UHFFFAOYSA-N
MW534.62 g/mol
LogP4.40
Rot. Bonds8

About [4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone

[4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 129246058) has the molecular formula C30H30N8O2 and a molecular weight of 534.62 g/mol. Its IUPAC name is [4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone
PubChem CID129246058
Molecular FormulaC30H30N8O2
Molecular Weight534.62 g/mol
Exact Mass534.25
IUPAC Name[4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5nc(Cc6ccccc6)no5)cc4[nH]3)c2)CC1
InChIInChI=1S/C30H30N8O2/c39-29(22-6-7-22)38-14-12-37(13-15-38)19-21-10-11-31-26(17-21)35-30-32-24-9-8-23(18-25(24)33-30)28-34-27(36-40-28)16-20-4-2-1-3-5-20/h1-5,8-11,17-18,22H,6-7,12-16,19H2,(H2,31,32,33,35)
InChIKeyBBJKWMWDZPNRCH-UHFFFAOYSA-N
XLogP4.40
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.62
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone with MolForge

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Launch Full Analysis

Related Compounds

2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
CID 10274480
3,3,3-trifluoro-1-[4-[(1R)-1-[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]propan-1-one
CID 129245211
tert-butyl 4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 129245450
6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129245476
3,3,3-trifluoro-1-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]propan-1-one
CID 129245526
cyclopropyl-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone
CID 129245530
2-cyclopropyl-1-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 129245681
US10894784, Example 16.05.02
CID 129245769
3,3,3-trifluoro-1-[4-[(1S)-1-[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]propan-1-one
CID 129245828
3,3,3-trifluoro-1-[4-[[2-[[6-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]propan-1-one
CID 129245842
1-[4-[[2-[[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 129245918
cyclobutyl-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone
CID 129260549

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone (CID 129246058) is [4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5nc(Cc6ccccc6)no5)cc4[nH]3)c2)CC1.
What is the InChIKey of [4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is BBJKWMWDZPNRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N8O2/c39-29(22-6-7-22)38-14-12-37(13-15-38)19-21-10-11-31-26(17-21)35-30-32-24-9-8-23(18-25(24)33-30)28-34-27(36-40-28)16-20-4-2-1-3-5-20/h1-5,8-11,17-18,22H,6-7,12-16,19H2,(H2,31,32,33,35).
What are the key properties of [4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone?
[4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 534.62 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[[6-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 129246058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).