2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide

C19H19N3O2 — CID 167978658

IUPAC2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide
SMILESC[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C19H19N3O2/c1-11-14-5-3-2-4-12(14)8-16(11)22-19(24)13-6-7-15-17(9-13)21-18(10-23)20-15/h2-7,9,11,16,23H,8,10H2,1H3,(H,20,21)(H,22,24)/t11-,16+/m0/s1
InChIKeyJFUFWTMMJGKHAG-MEDUHNTESA-N
MW321.38 g/mol
LogP2.51
Rot. Bonds3

About 2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide

2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 167978658) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide
PubChem CID167978658
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide
SMILESC[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C19H19N3O2/c1-11-14-5-3-2-4-12(14)8-16(11)22-19(24)13-6-7-15-17(9-13)21-18(10-23)20-15/h2-7,9,11,16,23H,8,10H2,1H3,(H,20,21)(H,22,24)/t11-,16+/m0/s1
InChIKeyJFUFWTMMJGKHAG-MEDUHNTESA-N
XLogP2.51
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 72935726
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CID 170948220
2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 83949197
2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide
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N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 74240019
2-(hydroxymethyl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 97280412
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
2-(hydroxymethyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3H-benzimidazole-5-carboxamide
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N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
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N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 56891709
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide (CID 167978658) is 2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide is C[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc2nc(CO)[nH]c2c1.
What is the InChIKey of 2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is JFUFWTMMJGKHAG-MEDUHNTESA-N. The full InChI is InChI=1S/C19H19N3O2/c1-11-14-5-3-2-4-12(14)8-16(11)22-19(24)13-6-7-15-17(9-13)21-18(10-23)20-15/h2-7,9,11,16,23H,8,10H2,1H3,(H,20,21)(H,22,24)/t11-,16+/m0/s1.
What are the key properties of 2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide?
2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 167978658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).