1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole

C33H39N5 — CID 90644542

IUPAC1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole
SMILESCc1nccn1CCCn1c(-c2ccccc2)cc(-c2nc3ccccc3n2CC2CCCC2)c1C(C)C
InChIInChI=1S/C33H39N5/c1-24(2)32-28(33-35-29-16-9-10-17-30(29)38(33)23-26-12-7-8-13-26)22-31(27-14-5-4-6-15-27)37(32)20-11-19-36-21-18-34-25(36)3/h4-6,9-10,14-18,21-22,24,26H,7-8,11-13,19-20,23H2,1-3H3
InChIKeyWXDAPKXJPLCTGT-UHFFFAOYSA-N
MW505.71 g/mol
LogP8.08
Rot. Bonds9

About 1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole

1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole (PubChem CID 90644542) has the molecular formula C33H39N5 and a molecular weight of 505.71 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole
PubChem CID90644542
Molecular FormulaC33H39N5
Molecular Weight505.71 g/mol
Exact Mass505.32
IUPAC Name1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole
SMILESCc1nccn1CCCn1c(-c2ccccc2)cc(-c2nc3ccccc3n2CC2CCCC2)c1C(C)C
InChIInChI=1S/C33H39N5/c1-24(2)32-28(33-35-29-16-9-10-17-30(29)38(33)23-26-12-7-8-13-26)22-31(27-14-5-4-6-15-27)37(32)20-11-19-36-21-18-34-25(36)3/h4-6,9-10,14-18,21-22,24,26H,7-8,11-13,19-20,23H2,1-3H3
InChIKeyWXDAPKXJPLCTGT-UHFFFAOYSA-N
XLogP8.08
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.71
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
FK-739
CID 23668568
1-Methyl-2-pyridin-4-YL-1H-benzoimidazole
CID 786430
1-Ethyl-3-imidazol-1-ylmethyl-1H-indole
CID 10331244
4-(6,7-Difluoro-1-methylbenzimidazol-2-yl)isoquinoline
CID 68053567
1-(2-phenylethyl)-1H-benzimidazole
CID 409927
4-[4-(1H-1,3-benzimidazol-1-yl)phenyl]-2-pyrimidinylamine
CID 1477777
1-methyl-2-((4-phenylpiperidin-1-yl)methyl)-1H-benzo[d]imidazole
CID 24815434
1-(2-Methylprop-2-enyl)-2-phenylbenzimidazole
CID 881644
N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]-1H-benzimidazol-2-amine
CID 1253120
Irtemazole
CID 71330

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole?
The IUPAC name of 1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole (CID 90644542) is 1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole.
What is the SMILES notation for 1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole?
The canonical SMILES for 1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole is Cc1nccn1CCCn1c(-c2ccccc2)cc(-c2nc3ccccc3n2CC2CCCC2)c1C(C)C.
What is the InChIKey of 1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole?
The InChIKey is WXDAPKXJPLCTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5/c1-24(2)32-28(33-35-29-16-9-10-17-30(29)38(33)23-26-12-7-8-13-26)22-31(27-14-5-4-6-15-27)37(32)20-11-19-36-21-18-34-25(36)3/h4-6,9-10,14-18,21-22,24,26H,7-8,11-13,19-20,23H2,1-3H3.
What are the key properties of 1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole?
1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole has a molecular weight of 505.71 g/mol, XLogP of 8.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole is sourced from PubChem (CID 90644542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).