2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole

C18H19N3 — CID 175651550

IUPAC2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole
SMILESc1ccc(C2CCCN2Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H19N3/c1-2-7-14(8-3-1)17-11-6-12-21(17)13-18-19-15-9-4-5-10-16(15)20-18/h1-5,7-10,17H,6,11-13H2,(H,19,20)
InChIKeyBZEVTOKDRXCJJC-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.90
Rot. Bonds3

About 2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole

2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole (PubChem CID 175651550) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole
PubChem CID175651550
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole
SMILESc1ccc(C2CCCN2Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H19N3/c1-2-7-14(8-3-1)17-11-6-12-21(17)13-18-19-15-9-4-5-10-16(15)20-18/h1-5,7-10,17H,6,11-13H2,(H,19,20)
InChIKeyBZEVTOKDRXCJJC-UHFFFAOYSA-N
XLogP3.90
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol
CID 138383651
6-methoxy-2-[[2-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 71294766
6,7-dimethoxy-2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 135951577
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
(4aR,10bR)-1-(1H-benzimidazol-2-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
CID 68945912
2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 135767703
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole
CID 141173101
4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99958850
4-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 77097504
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole (CID 175651550) is 2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole is c1ccc(C2CCCN2Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole?
The InChIKey is BZEVTOKDRXCJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-7-14(8-3-1)17-11-6-12-21(17)13-18-19-15-9-4-5-10-16(15)20-18/h1-5,7-10,17H,6,11-13H2,(H,19,20).
What are the key properties of 2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole?
2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole has a molecular weight of 277.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 175651550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).