7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide

C26H27N5O3 — CID 42363754

IUPAC7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide
SMILESCOc1ccccc1-c1nc2cc(C(=O)N[C@H](C)Cc3cccnc3)cc(NC(C)=O)c2n1C
InChIInChI=1S/C26H27N5O3/c1-16(12-18-8-7-11-27-15-18)28-26(33)19-13-21(29-17(2)32)24-22(14-19)30-25(31(24)3)20-9-5-6-10-23(20)34-4/h5-11,13-16H,12H2,1-4H3,(H,28,33)(H,29,32)/t16-/m1/s1
InChIKeyUUMZWABZIZGKIW-MRXNPFEDSA-N
MW457.53 g/mol
LogP3.96
Rot. Bonds7

About 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide

7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide (PubChem CID 42363754) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide
PubChem CID42363754
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide
SMILESCOc1ccccc1-c1nc2cc(C(=O)N[C@H](C)Cc3cccnc3)cc(NC(C)=O)c2n1C
InChIInChI=1S/C26H27N5O3/c1-16(12-18-8-7-11-27-15-18)28-26(33)19-13-21(29-17(2)32)24-22(14-19)30-25(31(24)3)20-9-5-6-10-23(20)34-4/h5-11,13-16H,12H2,1-4H3,(H,28,33)(H,29,32)/t16-/m1/s1
InChIKeyUUMZWABZIZGKIW-MRXNPFEDSA-N
XLogP3.96
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-(2-phenylpropyl)benzimidazole-5-carboxamide
CID 45188686
7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-2-phenylpropyl]benzimidazole-5-carboxamide
CID 42166404
7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide
CID 42166403
N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide
CID 125165468
2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 167897060
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 90653792
2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide
CID 42521796
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42516266
N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide
CID 125177536
5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 45202237

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide?
The IUPAC name of 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide (CID 42363754) is 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide?
The canonical SMILES for 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide is COc1ccccc1-c1nc2cc(C(=O)N[C@H](C)Cc3cccnc3)cc(NC(C)=O)c2n1C.
What is the InChIKey of 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide?
The InChIKey is UUMZWABZIZGKIW-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-16(12-18-8-7-11-27-15-18)28-26(33)19-13-21(29-17(2)32)24-22(14-19)30-25(31(24)3)20-9-5-6-10-23(20)34-4/h5-11,13-16H,12H2,1-4H3,(H,28,33)(H,29,32)/t16-/m1/s1.
What are the key properties of 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide?
7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 42363754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).