2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide

C27H31N5O3 — CID 26277075

IUPAC2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N[C@H](C)Cn2ccc3ccccc32)c2c(c1)nc(C1CCC1)n2C
InChIInChI=1S/C27H31N5O3/c1-17(15-32-12-11-18-7-4-5-10-23(18)32)28-27(34)21-13-20(29-24(33)16-35-3)14-22-25(21)31(2)26(30-22)19-8-6-9-19/h4-5,7,10-14,17,19H,6,8-9,15-16H2,1-3H3,(H,28,34)(H,29,33)/t17-/m1/s1
InChIKeySTSGGZLWYVBVPW-QGZVFWFLSA-N
MW473.58 g/mol
LogP4.20
Rot. Bonds8

About 2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide

2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide (PubChem CID 26277075) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide
PubChem CID26277075
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N[C@H](C)Cn2ccc3ccccc32)c2c(c1)nc(C1CCC1)n2C
InChIInChI=1S/C27H31N5O3/c1-17(15-32-12-11-18-7-4-5-10-23(18)32)28-27(34)21-13-20(29-24(33)16-35-3)14-22-25(21)31(2)26(30-22)19-8-6-9-19/h4-5,7,10-14,17,19H,6,8-9,15-16H2,1-3H3,(H,28,34)(H,29,33)/t17-/m1/s1
InChIKeySTSGGZLWYVBVPW-QGZVFWFLSA-N
XLogP4.20
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclobutyl-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide
CID 42276148
2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide
CID 45198971
2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide
CID 42170060
N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
CID 42429744
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
ethyl 4-[[2-benzyl-3-methyl-6-(propanoylamino)benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 42472328
2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131941468
N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide
CID 42405347
N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
CID 39047383
6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide
CID 45189679
6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)-N-(2-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide
CID 45183711
6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38398974

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide?
The IUPAC name of 2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide (CID 26277075) is 2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide is COCC(=O)Nc1cc(C(=O)N[C@H](C)Cn2ccc3ccccc32)c2c(c1)nc(C1CCC1)n2C.
What is the InChIKey of 2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide?
The InChIKey is STSGGZLWYVBVPW-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-17(15-32-12-11-18-7-4-5-10-23(18)32)28-27(34)21-13-20(29-24(33)16-35-3)14-22-25(21)31(2)26(30-22)19-8-6-9-19/h4-5,7,10-14,17,19H,6,8-9,15-16H2,1-3H3,(H,28,34)(H,29,33)/t17-/m1/s1.
What are the key properties of 2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide?
2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 26277075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).