7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide

C26H29N5O3S — CID 42432983

IUPAC7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide
SMILESCOCCC(=O)Nc1cc(C(=O)N(C)[C@H](C)c2nc(C)cs2)cc2nc(-c3ccccc3)n(C)c12
InChIInChI=1S/C26H29N5O3S/c1-16-15-35-25(27-16)17(2)30(3)26(33)19-13-20(28-22(32)11-12-34-5)23-21(14-19)29-24(31(23)4)18-9-7-6-8-10-18/h6-10,13-15,17H,11-12H2,1-5H3,(H,28,32)/t17-/m1/s1
InChIKeyIAFNNWUIKNKCEP-QGZVFWFLSA-N
MW491.62 g/mol
LogP4.81
Rot. Bonds8

About 7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide

7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide (PubChem CID 42432983) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide
PubChem CID42432983
Molecular FormulaC26H29N5O3S
Molecular Weight491.62 g/mol
Exact Mass491.20
IUPAC Name7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide
SMILESCOCCC(=O)Nc1cc(C(=O)N(C)[C@H](C)c2nc(C)cs2)cc2nc(-c3ccccc3)n(C)c12
InChIInChI=1S/C26H29N5O3S/c1-16-15-35-25(27-16)17(2)30(3)26(33)19-13-20(28-22(32)11-12-34-5)23-21(14-19)29-24(31(23)4)18-9-7-6-8-10-18/h6-10,13-15,17H,11-12H2,1-5H3,(H,28,32)/t17-/m1/s1
InChIKeyIAFNNWUIKNKCEP-QGZVFWFLSA-N
XLogP4.81
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide?
The IUPAC name of 7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide (CID 42432983) is 7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for 7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for 7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide is COCCC(=O)Nc1cc(C(=O)N(C)[C@H](C)c2nc(C)cs2)cc2nc(-c3ccccc3)n(C)c12.
What is the InChIKey of 7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide?
The InChIKey is IAFNNWUIKNKCEP-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-16-15-35-25(27-16)17(2)30(3)26(33)19-13-20(28-22(32)11-12-34-5)23-21(14-19)29-24(31(23)4)18-9-7-6-8-10-18/h6-10,13-15,17H,11-12H2,1-5H3,(H,28,32)/t17-/m1/s1.
What are the key properties of 7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide?
7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide has a molecular weight of 491.62 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 42432983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).