(4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide

C21H20FN3O — CID 124843173

IUPAC(4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
SMILESO=C(N[C@H](c1ccccc1)c1ccc(F)cc1)[C@@H]1CCCc2[nH]cnc21
InChIInChI=1S/C21H20FN3O/c22-16-11-9-15(10-12-16)19(14-5-2-1-3-6-14)25-21(26)17-7-4-8-18-20(17)24-13-23-18/h1-3,5-6,9-13,17,19H,4,7-8H2,(H,23,24)(H,25,26)/t17-,19-/m1/s1
InChIKeyDGRYJRSEINHSOG-IEBWSBKVSA-N
MW349.41 g/mol
LogP3.87
Rot. Bonds4

About (4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide

(4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide (PubChem CID 124843173) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is (4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
PubChem CID124843173
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name(4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
SMILESO=C(N[C@H](c1ccccc1)c1ccc(F)cc1)[C@@H]1CCCc2[nH]cnc21
InChIInChI=1S/C21H20FN3O/c22-16-11-9-15(10-12-16)19(14-5-2-1-3-6-14)25-21(26)17-7-4-8-18-20(17)24-13-23-18/h1-3,5-6,9-13,17,19H,4,7-8H2,(H,23,24)(H,25,26)/t17-,19-/m1/s1
InChIKeyDGRYJRSEINHSOG-IEBWSBKVSA-N
XLogP3.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
CID 167980749
N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 57256640
N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
CID 166244981
N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide
CID 47018726
4-[bis(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674116
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 134035144
2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid
CID 99784106
2-oxo-N-[phenyl-(4-pyrimidin-2-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903674
(4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 125445481
2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 119716453
(3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213431
(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
The IUPAC name of (4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide (CID 124843173) is (4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for (4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
The canonical SMILES for (4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide is O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)[C@@H]1CCCc2[nH]cnc21.
What is the InChIKey of (4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
The InChIKey is DGRYJRSEINHSOG-IEBWSBKVSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-16-11-9-15(10-12-16)19(14-5-2-1-3-6-14)25-21(26)17-7-4-8-18-20(17)24-13-23-18/h1-3,5-6,9-13,17,19H,4,7-8H2,(H,23,24)(H,25,26)/t17-,19-/m1/s1.
What are the key properties of (4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
(4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 124843173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).