1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole

C27H28ClN3 — CID 10342628

IUPAC1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole
SMILESCc1cccc(CN2CCC(c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C27H28ClN3/c1-20-5-4-6-22(17-20)18-30-15-13-23(14-16-30)27-29-25-7-2-3-8-26(25)31(27)19-21-9-11-24(28)12-10-21/h2-12,17,23H,13-16,18-19H2,1H3
InChIKeyHHWFYWWGKCBDPA-UHFFFAOYSA-N
MW430.00 g/mol
LogP6.43
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole

1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole (PubChem CID 10342628) has the molecular formula C27H28ClN3 and a molecular weight of 430.00 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole
PubChem CID10342628
Molecular FormulaC27H28ClN3
Molecular Weight430.00 g/mol
Exact Mass429.20
IUPAC Name1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole
SMILESCc1cccc(CN2CCC(c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C27H28ClN3/c1-20-5-4-6-22(17-20)18-30-15-13-23(14-16-30)27-29-25-7-2-3-8-26(25)31(27)19-21-9-11-24(28)12-10-21/h2-12,17,23H,13-16,18-19H2,1H3
InChIKeyHHWFYWWGKCBDPA-UHFFFAOYSA-N
XLogP6.43
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.00
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754148
2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine
CID 56915361
(4S)-4-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 40698833
1-(3,5-dimethylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754257
[4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine
CID 177142915
(4S)-1-(4-methylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40728245
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144581
2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 75615874
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 40504936
1-[5-[[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-N-methylethanimine;1-(1,1-difluoroethyl)-3-methylbenzene
CID 177143112
4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 3737057
2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 18878588

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole (CID 10342628) is 1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole is Cc1cccc(CN2CCC(c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole?
The InChIKey is HHWFYWWGKCBDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3/c1-20-5-4-6-22(17-20)18-30-15-13-23(14-16-30)27-29-25-7-2-3-8-26(25)31(27)19-21-9-11-24(28)12-10-21/h2-12,17,23H,13-16,18-19H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole?
1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole has a molecular weight of 430.00 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole is sourced from PubChem (CID 10342628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).