4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide

C25H29N5O2 — CID 166205070

IUPAC4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
SMILESCc1c(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cccc1C(=O)N1CCCC1
InChIInChI=1S/C25H29N5O2/c1-17-19(24(31)29-13-4-5-14-29)7-6-10-20(17)28-25(32)30-15-11-18(12-16-30)23-26-21-8-2-3-9-22(21)27-23/h2-3,6-10,18H,4-5,11-16H2,1H3,(H,26,27)(H,28,32)
InChIKeyTXPVKPJOUWNJNR-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.52
Rot. Bonds3

About 4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide

4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide (PubChem CID 166205070) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
PubChem CID166205070
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
SMILESCc1c(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cccc1C(=O)N1CCCC1
InChIInChI=1S/C25H29N5O2/c1-17-19(24(31)29-13-4-5-14-29)7-6-10-20(17)28-25(32)30-15-11-18(12-16-30)23-26-21-8-2-3-9-22(21)27-23/h2-3,6-10,18H,4-5,11-16H2,1H3,(H,26,27)(H,28,32)
InChIKeyTXPVKPJOUWNJNR-UHFFFAOYSA-N
XLogP4.52
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 55696056
4-(1H-benzimidazol-2-yl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 23605637
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 33112285
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 71827914
3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 44754575
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 46692235
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
CID 71898934
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 71827968
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 33119811
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone
CID 90505704
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methanone
CID 46589786

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide (CID 166205070) is 4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide is Cc1c(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cccc1C(=O)N1CCCC1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
The InChIKey is TXPVKPJOUWNJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17-19(24(31)29-13-4-5-14-29)7-6-10-20(17)28-25(32)30-15-11-18(12-16-30)23-26-21-8-2-3-9-22(21)27-23/h2-3,6-10,18H,4-5,11-16H2,1H3,(H,26,27)(H,28,32).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide?
4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 166205070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).