N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide

C20H21N3O — CID 26419597

IUPACN-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2nc[nH]c2c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H21N3O/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)23-20(24)17-8-9-18-19(11-17)22-12-21-18/h6-13H,2-5H2,1H3,(H,21,22)(H,23,24)/t13-/m0/s1
InChIKeyXFNFCMGMPXRAKQ-ZDUSSCGKSA-N
MW319.41 g/mol
LogP3.93
Rot. Bonds3

About N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide

N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 26419597) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID26419597
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2nc[nH]c2c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H21N3O/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)23-20(24)17-8-9-18-19(11-17)22-12-21-18/h6-13H,2-5H2,1H3,(H,21,22)(H,23,24)/t13-/m0/s1
InChIKeyXFNFCMGMPXRAKQ-ZDUSSCGKSA-N
XLogP3.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-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-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 25371184
N-[1-(3-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 42905894
3-fluoro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2941760
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
3-methoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2201463
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133191869
3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2225872
2-(3H-benzimidazole-5-carbonylamino)-3-methylbutanoic acid
CID 24700991
N-[(1S)-1-(4-ethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706676
4-ethoxy-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190984

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide (CID 26419597) is N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide is C[C@H](NC(=O)c1ccc2nc[nH]c2c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is XFNFCMGMPXRAKQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N3O/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)23-20(24)17-8-9-18-19(11-17)22-12-21-18/h6-13H,2-5H2,1H3,(H,21,22)(H,23,24)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide?
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 26419597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).