N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide

C19H16FN5O — CID 25388837

IUPACN-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCn1ccnc1[C@H](NC(=O)c1ccc2nc[nH]c2c1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN5O/c1-25-9-8-21-18(25)17(12-2-5-14(20)6-3-12)24-19(26)13-4-7-15-16(10-13)23-11-22-15/h2-11,17H,1H3,(H,22,23)(H,24,26)/t17-/m1/s1
InChIKeyORQQVAXVZHCCBF-QGZVFWFLSA-N
MW349.37 g/mol
LogP2.95
Rot. Bonds4

About N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide

N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 25388837) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID25388837
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC NameN-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCn1ccnc1[C@H](NC(=O)c1ccc2nc[nH]c2c1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN5O/c1-25-9-8-21-18(25)17(12-2-5-14(20)6-3-12)24-19(26)13-4-7-15-16(10-13)23-11-22-15/h2-11,17H,1H3,(H,22,23)(H,24,26)/t17-/m1/s1
InChIKeyORQQVAXVZHCCBF-QGZVFWFLSA-N
XLogP2.95
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110444818
N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110444793
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 25367440
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
CID 46685190
4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26078376
4-amino-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide
CID 26076514
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
4-(2,5-dimethylpyrrol-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51532954
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide (CID 25388837) is N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide is Cn1ccnc1[C@H](NC(=O)c1ccc2nc[nH]c2c1)c1ccc(F)cc1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is ORQQVAXVZHCCBF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-25-9-8-21-18(25)17(12-2-5-14(20)6-3-12)24-19(26)13-4-7-15-16(10-13)23-11-22-15/h2-11,17H,1H3,(H,22,23)(H,24,26)/t17-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 25388837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).