N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide

C19H18N4O — CID 124577149

IUPACN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1nc2ccccc2n1C
InChIInChI=1S/C19H18N4O/c1-12(18-22-15-5-3-4-6-17(15)23(18)2)21-19(24)14-8-7-13-9-10-20-16(13)11-14/h3-12,20H,1-2H3,(H,21,24)/t12-/m1/s1
InChIKeyZOYFNMNQPLEDRI-GFCCVEGCSA-N
MW318.38 g/mol
LogP3.55
Rot. Bonds3

About N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide

N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide (PubChem CID 124577149) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide
PubChem CID124577149
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1nc2ccccc2n1C
InChIInChI=1S/C19H18N4O/c1-12(18-22-15-5-3-4-6-17(15)23(18)2)21-19(24)14-8-7-13-9-10-20-16(13)11-14/h3-12,20H,1-2H3,(H,21,24)/t12-/m1/s1
InChIKeyZOYFNMNQPLEDRI-GFCCVEGCSA-N
XLogP3.55
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 751122
3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 17010086
2,4-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 16967777
2-acetyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 124608305
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide
CID 47190593
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide
CID 63022253
N-tert-butyl-1H-indole-6-carboxamide
CID 47299645
2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 119890038
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide (CID 124577149) is N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide is C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1nc2ccccc2n1C.
What is the InChIKey of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide?
The InChIKey is ZOYFNMNQPLEDRI-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18N4O/c1-12(18-22-15-5-3-4-6-17(15)23(18)2)21-19(24)14-8-7-13-9-10-20-16(13)11-14/h3-12,20H,1-2H3,(H,21,24)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide?
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 124577149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).