2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole

C20H22N4 — CID 151651960

IUPAC2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(C(C)CC(C)c3nc4ccccc4[nH]3)nc12
InChIInChI=1S/C20H22N4/c1-12-7-6-10-17-18(12)24-20(23-17)14(3)11-13(2)19-21-15-8-4-5-9-16(15)22-19/h4-10,13-14H,11H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyQURSLZQXRFGEDR-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.04
Rot. Bonds4

About 2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole

2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole (PubChem CID 151651960) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole
PubChem CID151651960
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(C(C)CC(C)c3nc4ccccc4[nH]3)nc12
InChIInChI=1S/C20H22N4/c1-12-7-6-10-17-18(12)24-20(23-17)14(3)11-13(2)19-21-15-8-4-5-9-16(15)22-19/h4-10,13-14H,11H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyQURSLZQXRFGEDR-UHFFFAOYSA-N
XLogP5.04
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 83857640
2-propan-2-yl-1H-benzimidazole
CID 22121
2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile
CID 83857763
ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene
CID 123493983
4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole
CID 27408412
2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole
CID 151827175
2-(1-ethoxypropan-2-yl)-1H-benzimidazole
CID 20681263
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60664275
2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole
CID 828176
2-[(2S)-2-(1H-benzimidazol-2-yl)propyl]aniline
CID 29247572
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole (CID 151651960) is 2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole is Cc1cccc2[nH]c(C(C)CC(C)c3nc4ccccc4[nH]3)nc12.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole?
The InChIKey is QURSLZQXRFGEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-12-7-6-10-17-18(12)24-20(23-17)14(3)11-13(2)19-21-15-8-4-5-9-16(15)22-19/h4-10,13-14H,11H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole?
2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole has a molecular weight of 318.42 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole is sourced from PubChem (CID 151651960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).