N-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide

C19H19FN4O — CID 129378798

IUPACN-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide
SMILESCN1CC[C@H](NC(=O)c2ccc3nc[nH]c3c2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O/c1-24-9-8-16(18(24)12-2-5-14(20)6-3-12)23-19(25)13-4-7-15-17(10-13)22-11-21-15/h2-7,10-11,16,18H,8-9H2,1H3,(H,21,22)(H,23,25)/t16-,18+/m0/s1
InChIKeyUGDVOGUYAWZWHI-FUHWJXTLSA-N
MW338.39 g/mol
LogP2.88
Rot. Bonds3

About N-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide

N-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 129378798) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide
PubChem CID129378798
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide
SMILESCN1CC[C@H](NC(=O)c2ccc3nc[nH]c3c2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O/c1-24-9-8-16(18(24)12-2-5-14(20)6-3-12)23-19(25)13-4-7-15-17(10-13)22-11-21-15/h2-7,10-11,16,18H,8-9H2,1H3,(H,21,22)(H,23,25)/t16-,18+/m0/s1
InChIKeyUGDVOGUYAWZWHI-FUHWJXTLSA-N
XLogP2.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dimethylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 18723319
6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 97242983
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-[2-(hydroxymethyl)cyclopentyl]-3H-benzimidazole-5-carboxamide
CID 103856996
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 162475306
3H-benzimidazol-5-yl-[(3R)-3-(4-fluorophenyl)azepan-1-yl]methanone
CID 99873270
N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 70099471
N-(3-methylcyclopentyl)-3H-benzimidazole-5-carboxamide
CID 114549479
N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 64722974
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 106995338
N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 99850796

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide (CID 129378798) is N-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide is CN1CC[C@H](NC(=O)c2ccc3nc[nH]c3c2)[C@H]1c1ccc(F)cc1.
What is the InChIKey of N-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is UGDVOGUYAWZWHI-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-24-9-8-16(18(24)12-2-5-14(20)6-3-12)23-19(25)13-4-7-15-17(10-13)22-11-21-15/h2-7,10-11,16,18H,8-9H2,1H3,(H,21,22)(H,23,25)/t16-,18+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide?
N-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 129378798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).