(5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C15H17N3O2 — CID 10683521

IUPAC(5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CCc2nc[nH]c2C1
InChIInChI=1S/C15H17N3O2/c1-20-14-5-3-2-4-12(14)18-15(19)10-6-7-11-13(8-10)17-9-16-11/h2-5,9-10H,6-8H2,1H3,(H,16,17)(H,18,19)/t10-/m0/s1
InChIKeyFJMIEQOPFDNZDE-JTQLQIEISA-N
MW271.32 g/mol
LogP2.16
Rot. Bonds3

About (5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

(5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 10683521) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID10683521
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CCc2nc[nH]c2C1
InChIInChI=1S/C15H17N3O2/c1-20-14-5-3-2-4-12(14)18-15(19)10-6-7-11-13(8-10)17-9-16-11/h2-5,9-10H,6-8H2,1H3,(H,16,17)(H,18,19)/t10-/m0/s1
InChIKeyFJMIEQOPFDNZDE-JTQLQIEISA-N
XLogP2.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetylphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;but-2-enedioic acid
CID 70055740
N-(2-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680779
N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640075
N-(2-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836103
(5S)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100660418
(5R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661224
(5S)-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661137
(5S)-N-[(2R)-1-methoxypropan-2-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100660213
N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640002
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
(5R)-N-[(2-methoxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662125
(5R)-N-(2-acetamidoethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662860

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of (5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 10683521) is (5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for (5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for (5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is COc1ccccc1NC(=O)[C@H]1CCc2nc[nH]c2C1.
What is the InChIKey of (5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is FJMIEQOPFDNZDE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14-5-3-2-4-12(14)18-15(19)10-6-7-11-13(8-10)17-9-16-11/h2-5,9-10H,6-8H2,1H3,(H,16,17)(H,18,19)/t10-/m0/s1.
What are the key properties of (5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
(5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10683521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).