[4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone

C34H40N6O2 — CID 118397054

IUPAC[4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone
SMILESCOc1ccc(CN2CCC(c3ccc4nc(C(=O)N5CCN(Cc6ccc(C7CC7)cc6)CC5)[nH]c4c3)CC2)cn1
InChIInChI=1S/C34H40N6O2/c1-42-32-11-4-25(21-35-32)23-38-14-12-28(13-15-38)29-9-10-30-31(20-29)37-33(36-30)34(41)40-18-16-39(17-19-40)22-24-2-5-26(6-3-24)27-7-8-27/h2-6,9-11,20-21,27-28H,7-8,12-19,22-23H2,1H3,(H,36,37)
InChIKeyMTPHVIMTELWLTI-UHFFFAOYSA-N
MW564.73 g/mol
LogP5.18
Rot. Bonds8

About [4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone

[4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone (PubChem CID 118397054) has the molecular formula C34H40N6O2 and a molecular weight of 564.73 g/mol. Its IUPAC name is [4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone.

Molecular Properties

Compound Name[4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone
PubChem CID118397054
Molecular FormulaC34H40N6O2
Molecular Weight564.73 g/mol
Exact Mass564.32
IUPAC Name[4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone
SMILESCOc1ccc(CN2CCC(c3ccc4nc(C(=O)N5CCN(Cc6ccc(C7CC7)cc6)CC5)[nH]c4c3)CC2)cn1
InChIInChI=1S/C34H40N6O2/c1-42-32-11-4-25(21-35-32)23-38-14-12-28(13-15-38)29-9-10-30-31(20-29)37-33(36-30)34(41)40-18-16-39(17-19-40)22-24-2-5-26(6-3-24)27-7-8-27/h2-6,9-11,20-21,27-28H,7-8,12-19,22-23H2,1H3,(H,36,37)
InChIKeyMTPHVIMTELWLTI-UHFFFAOYSA-N
XLogP5.18
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone with MolForge

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Related Compounds

[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118397079
[6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone
CID 162575826
tert-butyl 4-[2-[4-[[4-(difluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-3H-benzimidazol-5-yl]piperidine-1-carboxylate
CID 118397048
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118391340
(2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone
CID 134704250
1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185116
(2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185138
N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 53185140
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
[6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 151924227
8-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505829

Frequently Asked Questions

What is the IUPAC name of [4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone?
The IUPAC name of [4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone (CID 118397054) is [4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone.
What is the SMILES notation for [4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone?
The canonical SMILES for [4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone is COc1ccc(CN2CCC(c3ccc4nc(C(=O)N5CCN(Cc6ccc(C7CC7)cc6)CC5)[nH]c4c3)CC2)cn1.
What is the InChIKey of [4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone?
The InChIKey is MTPHVIMTELWLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6O2/c1-42-32-11-4-25(21-35-32)23-38-14-12-28(13-15-38)29-9-10-30-31(20-29)37-33(36-30)34(41)40-18-16-39(17-19-40)22-24-2-5-26(6-3-24)27-7-8-27/h2-6,9-11,20-21,27-28H,7-8,12-19,22-23H2,1H3,(H,36,37).
What are the key properties of [4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone?
[4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone has a molecular weight of 564.73 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone is sourced from PubChem (CID 118397054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).