N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide

C22H28N4O — CID 55471878

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2nc3ccccc3[nH]2)c(C)n1C1CCCCC1
InChIInChI=1S/C22H28N4O/c1-14-13-18(16(3)26(14)17-9-5-4-6-10-17)22(27)23-15(2)21-24-19-11-7-8-12-20(19)25-21/h7-8,11-13,15,17H,4-6,9-10H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyYLDYWYQGYIQNPE-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.98
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 55471878) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID55471878
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2nc3ccccc3[nH]2)c(C)n1C1CCCCC1
InChIInChI=1S/C22H28N4O/c1-14-13-18(16(3)26(14)17-9-5-4-6-10-17)22(27)23-15(2)21-24-19-11-7-8-12-20(19)25-21/h7-8,11-13,15,17H,4-6,9-10H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyYLDYWYQGYIQNPE-UHFFFAOYSA-N
XLogP4.98
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 55445770
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106688409
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-chlorobenzamide
CID 78806072
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide
CID 60509453
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 18116353
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide (CID 55471878) is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NC(C)c2nc3ccccc3[nH]2)c(C)n1C1CCCCC1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is YLDYWYQGYIQNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-14-13-18(16(3)26(14)17-9-5-4-6-10-17)22(27)23-15(2)21-24-19-11-7-8-12-20(19)25-21/h7-8,11-13,15,17H,4-6,9-10H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 55471878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).