3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide

C19H24N4O — CID 136543805

IUPAC3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCc2nc[nH]c2C1)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C19H24N4O/c24-19(22-16-6-7-17-18(11-16)21-13-20-17)23-9-8-15(12-23)10-14-4-2-1-3-5-14/h1-5,13,15-16H,6-12H2,(H,20,21)(H,22,24)
InChIKeyXTXJFEXRSILBSX-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.54
Rot. Bonds3

About 3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide

3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 136543805) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID136543805
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCc2nc[nH]c2C1)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C19H24N4O/c24-19(22-16-6-7-17-18(11-16)21-13-20-17)23-9-8-15(12-23)10-14-4-2-1-3-5-14/h1-5,13,15-16H,6-12H2,(H,20,21)(H,22,24)
InChIKeyXTXJFEXRSILBSX-UHFFFAOYSA-N
XLogP2.54
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023397
1-(3-benzylpyrrolidin-1-yl)-2-chloroethanone
CID 166404042
(3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 97259812
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
(4-benzylpiperidin-1-yl)-[5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone
CID 74507916
5-[(3R)-3-benzylpyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 124701503
3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
CID 91917752
5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide
CID 136515388
N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 111470923
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-benzyl-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7545728
cis-(1R,2S)-2-[(3R)-3-benzylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131885

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide (CID 136543805) is 3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide is O=C(NC1CCc2nc[nH]c2C1)N1CCC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is XTXJFEXRSILBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(22-16-6-7-17-18(11-16)21-13-20-17)23-9-8-15(12-23)10-14-4-2-1-3-5-14/h1-5,13,15-16H,6-12H2,(H,20,21)(H,22,24).
What are the key properties of 3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide?
3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136543805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).