N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide

C22H28N4O — CID 71827812

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide
SMILESO=C(CC1(n2cccc2)CCCCC1)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C22H28N4O/c27-21(17-22(12-4-1-5-13-22)26-15-6-7-16-26)23-14-8-11-20-24-18-9-2-3-10-19(18)25-20/h2-3,6-7,9-10,15-16H,1,4-5,8,11-14,17H2,(H,23,27)(H,24,25)
InChIKeyRDBMTQUUTXFAMC-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.16
Rot. Bonds7

About N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide (PubChem CID 71827812) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide
PubChem CID71827812
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide
SMILESO=C(CC1(n2cccc2)CCCCC1)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C22H28N4O/c27-21(17-22(12-4-1-5-13-22)26-15-6-7-16-26)23-14-8-11-20-24-18-9-2-3-10-19(18)25-20/h2-3,6-7,9-10,15-16H,1,4-5,8,11-14,17H2,(H,23,27)(H,24,25)
InChIKeyRDBMTQUUTXFAMC-UHFFFAOYSA-N
XLogP4.16
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide
CID 75489438
1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119838245
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 30359729
N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
CID 125433670
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 29303573
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46411465
N-[3-(1H-benzimidazol-2-yl)propyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119838297
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 55909912
N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
CID 134032843
N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide
CID 118768183

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide (CID 71827812) is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide is O=C(CC1(n2cccc2)CCCCC1)NCCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
The InChIKey is RDBMTQUUTXFAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-21(17-22(12-4-1-5-13-22)26-15-6-7-16-26)23-14-8-11-20-24-18-9-2-3-10-19(18)25-20/h2-3,6-7,9-10,15-16H,1,4-5,8,11-14,17H2,(H,23,27)(H,24,25).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide has a molecular weight of 364.49 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide is sourced from PubChem (CID 71827812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).