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

C18H23N3O2 — CID 100663453

IUPAC(5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@H]1CCc2nc(C)[nH]c2C1
InChIInChI=1S/C18H23N3O2/c1-12-20-15-8-7-14(11-16(15)21-12)18(22)19-10-9-13-5-3-4-6-17(13)23-2/h3-6,14H,7-11H2,1-2H3,(H,19,22)(H,20,21)/t14-/m0/s1
InChIKeyUMXJVOIZGLNCIW-AWEZNQCLSA-N
MW313.40 g/mol
LogP2.19
Rot. Bonds5

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

(5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 100663453) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID100663453
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@H]1CCc2nc(C)[nH]c2C1
InChIInChI=1S/C18H23N3O2/c1-12-20-15-8-7-14(11-16(15)21-12)18(22)19-10-9-13-5-3-4-6-17(13)23-2/h3-6,14H,7-11H2,1-2H3,(H,19,22)(H,20,21)/t14-/m0/s1
InChIKeyUMXJVOIZGLNCIW-AWEZNQCLSA-N
XLogP2.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640377
(5R)-2-methyl-N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664205
2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640337
N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640349
2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640645
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203432
2-methyl-N-(4-phenylbutan-2-yl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640388
6-chloro-N-[2-(2-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203864
(5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664502
2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640382
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of (5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 100663453) is (5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for (5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is COc1ccccc1CCNC(=O)[C@H]1CCc2nc(C)[nH]c2C1.
What is the InChIKey of (5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is UMXJVOIZGLNCIW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-20-15-8-7-14(11-16(15)21-12)18(22)19-10-9-13-5-3-4-6-17(13)23-2/h3-6,14H,7-11H2,1-2H3,(H,19,22)(H,20,21)/t14-/m0/s1.
What are the key properties of (5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
(5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 100663453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).