[(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine

C19H22N4 — CID 57052813

IUPAC[(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN[C@@H](c2nc3ccc(Cc4ccccc4)cc3[nH]2)C1
InChIInChI=1S/C19H22N4/c20-11-15-10-18(21-12-15)19-22-16-7-6-14(9-17(16)23-19)8-13-4-2-1-3-5-13/h1-7,9,15,18,21H,8,10-12,20H2,(H,22,23)/t15-,18-/m1/s1
InChIKeyAJSCRTPSRHYVIB-CRAIPNDOSA-N
MW306.41 g/mol
LogP2.76
Rot. Bonds4

About [(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine

[(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine (PubChem CID 57052813) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is [(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine
PubChem CID57052813
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name[(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN[C@@H](c2nc3ccc(Cc4ccccc4)cc3[nH]2)C1
InChIInChI=1S/C19H22N4/c20-11-15-10-18(21-12-15)19-22-16-7-6-14(9-17(16)23-19)8-13-4-2-1-3-5-13/h1-7,9,15,18,21H,8,10-12,20H2,(H,22,23)/t15-,18-/m1/s1
InChIKeyAJSCRTPSRHYVIB-CRAIPNDOSA-N
XLogP2.76
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide
CID 57068772
6-benzyl-1H-benzimidazole-2-carboxylic acid
CID 76845904
2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-6-[4-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole
CID 67106752
2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole
CID 59236993
S-(6-benzyl-1H-benzimidazol-2-yl) ethanethioate
CID 21269543
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004144
2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol
CID 81432165
[2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine
CID 107184982
2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole
CID 107002122
2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole
CID 4138578
[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine
CID 79004539
2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole
CID 117391858

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine (CID 57052813) is [(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine is NC[C@@H]1CN[C@@H](c2nc3ccc(Cc4ccccc4)cc3[nH]2)C1.
What is the InChIKey of [(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is AJSCRTPSRHYVIB-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H22N4/c20-11-15-10-18(21-12-15)19-22-16-7-6-14(9-17(16)23-19)8-13-4-2-1-3-5-13/h1-7,9,15,18,21H,8,10-12,20H2,(H,22,23)/t15-,18-/m1/s1.
What are the key properties of [(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine?
[(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 306.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 57052813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).