N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide

C20H22N4O2 — CID 120948721

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCC3CNCC3O)ccc2n1-c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-13-23-17-9-14(20(26)22-11-15-10-21-12-19(15)25)7-8-18(17)24(13)16-5-3-2-4-6-16/h2-9,15,19,21,25H,10-12H2,1H3,(H,22,26)
InChIKeyQVDZIUIXFUXBQK-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.64
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide (PubChem CID 120948721) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
PubChem CID120948721
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCC3CNCC3O)ccc2n1-c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-13-23-17-9-14(20(26)22-11-15-10-21-12-19(15)25)7-8-18(17)24(13)16-5-3-2-4-6-16/h2-9,15,19,21,25H,10-12H2,1H3,(H,22,26)
InChIKeyQVDZIUIXFUXBQK-UHFFFAOYSA-N
XLogP1.64
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide (CID 120948721) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NCC3CNCC3O)ccc2n1-c1ccccc1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is QVDZIUIXFUXBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-23-17-9-14(20(26)22-11-15-10-21-12-19(15)25)7-8-18(17)24(13)16-5-3-2-4-6-16/h2-9,15,19,21,25H,10-12H2,1H3,(H,22,26).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 120948721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).