(2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C16H22N4O2 — CID 86800699

IUPAC(2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)N1CCC[C@@H]1CO
InChIInChI=1S/C16H22N4O2/c21-11-12-5-4-10-20(12)16(22)17-9-3-8-15-18-13-6-1-2-7-14(13)19-15/h1-2,6-7,12,21H,3-5,8-11H2,(H,17,22)(H,18,19)/t12-/m1/s1
InChIKeyZNPGCZJZPSLSOX-GFCCVEGCSA-N
MW302.38 g/mol
LogP1.66
Rot. Bonds5

About (2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 86800699) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID86800699
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)N1CCC[C@@H]1CO
InChIInChI=1S/C16H22N4O2/c21-11-12-5-4-10-20(12)16(22)17-9-3-8-15-18-13-6-1-2-7-14(13)19-15/h1-2,6-7,12,21H,3-5,8-11H2,(H,17,22)(H,18,19)/t12-/m1/s1
InChIKeyZNPGCZJZPSLSOX-GFCCVEGCSA-N
XLogP1.66
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 99584356
1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide
CID 56807296
(2R,3R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2,3-dimethylthiomorpholine-4-carboxamide
CID 95771576
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 91661880
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea
CID 71973726
N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973881
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428120
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide
CID 112815362
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 30359729
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea
CID 56793699
trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
CID 29303561
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 86800699) is (2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is O=C(NCCCc1nc2ccccc2[nH]1)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is ZNPGCZJZPSLSOX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-11-12-5-4-10-20(12)16(22)17-9-3-8-15-18-13-6-1-2-7-14(13)19-15/h1-2,6-7,12,21H,3-5,8-11H2,(H,17,22)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86800699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).