N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide

C21H22N4O — CID 95772163

IUPACN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)N[C@H](C)c3nc4ccccc4n3C)c[nH]c2c1
InChIInChI=1S/C21H22N4O/c1-13-8-9-16-15(12-22-18(16)10-13)11-20(26)23-14(2)21-24-17-6-4-5-7-19(17)25(21)3/h4-10,12,14,22H,11H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyIRLMEZMJENYXLS-CQSZACIVSA-N
MW346.43 g/mol
LogP3.78
Rot. Bonds4

About N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide

N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide (PubChem CID 95772163) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide
PubChem CID95772163
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)N[C@H](C)c3nc4ccccc4n3C)c[nH]c2c1
InChIInChI=1S/C21H22N4O/c1-13-8-9-16-15(12-22-18(16)10-13)11-20(26)23-14(2)21-24-17-6-4-5-7-19(17)25(21)3/h4-10,12,14,22H,11H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyIRLMEZMJENYXLS-CQSZACIVSA-N
XLogP3.78
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 95772905
2,4-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 16967777
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 119890038
N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972530
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide
CID 124577149
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide (CID 95772163) is N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide is Cc1ccc2c(CC(=O)N[C@H](C)c3nc4ccccc4n3C)c[nH]c2c1.
What is the InChIKey of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide?
The InChIKey is IRLMEZMJENYXLS-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13-8-9-16-15(12-22-18(16)10-13)11-20(26)23-14(2)21-24-17-6-4-5-7-19(17)25(21)3/h4-10,12,14,22H,11H2,1-3H3,(H,23,26)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide?
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-(6-methyl-1H-indol-3-yl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.78, 4 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]-2-(6-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 95772163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).