N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide

C20H22N4O — CID 119840634

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H22N4O/c25-19(12-16-7-4-10-21-16)24-20(14-5-2-1-3-6-14)15-8-9-17-18(11-15)23-13-22-17/h1-3,5-6,8-9,11,13,16,20-21H,4,7,10,12H2,(H,22,23)(H,24,25)
InChIKeyHXOOHOXFDMIOAY-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.91
Rot. Bonds5

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119840634) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119840634
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H22N4O/c25-19(12-16-7-4-10-21-16)24-20(14-5-2-1-3-6-14)15-8-9-17-18(11-15)23-13-22-17/h1-3,5-6,8-9,11,13,16,20-21H,4,7,10,12H2,(H,22,23)(H,24,25)
InChIKeyHXOOHOXFDMIOAY-UHFFFAOYSA-N
XLogP2.91
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide
CID 47018726
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide
CID 78876519
N-(3H-benzimidazol-5-yl)-2-piperidin-2-ylacetamide
CID 115160451
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 86916761
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 42883479
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide
CID 78839236
N-[(S)-3H-benzimidazol-5-yl(phenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 25474476
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 114010293
N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 78886875
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(3-methoxyphenyl)propanamide
CID 24666701
methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride
CID 119707961
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24621595

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide (CID 119840634) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NC(c1ccccc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is HXOOHOXFDMIOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-19(12-16-7-4-10-21-16)24-20(14-5-2-1-3-6-14)15-8-9-17-18(11-15)23-13-22-17/h1-3,5-6,8-9,11,13,16,20-21H,4,7,10,12H2,(H,22,23)(H,24,25).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 334.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119840634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).