N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide

C21H19N5O — CID 157043527

IUPACN-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(Nc4ccnc(C)c4)cc3[nH]2)cc1
InChIInChI=1S/C21H19N5O/c1-13-11-18(9-10-22-13)24-17-7-8-19-20(12-17)26-21(25-19)15-3-5-16(6-4-15)23-14(2)27/h3-12H,1-2H3,(H,22,24)(H,23,27)(H,25,26)
InChIKeySRZQQAOLEDJWSL-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.64
Rot. Bonds4

About N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide

N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide (PubChem CID 157043527) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide
PubChem CID157043527
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(Nc4ccnc(C)c4)cc3[nH]2)cc1
InChIInChI=1S/C21H19N5O/c1-13-11-18(9-10-22-13)24-17-7-8-19-20(12-17)26-21(25-19)15-3-5-16(6-4-15)23-14(2)27/h3-12H,1-2H3,(H,22,24)(H,23,27)(H,25,26)
InChIKeySRZQQAOLEDJWSL-UHFFFAOYSA-N
XLogP4.64
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]anilino]quinoline-6-carboxylic acid
CID 157043847
4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine
CID 126676641
N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
CID 1136428
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]acetamide
CID 46861752
6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 157043799
6-(3-fluoroazetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 157043355
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide
CID 90145481
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
2,3,5,6-tetrafluoro-4-methyl-N-[4-[6-[(2,3,4,5,6-pentafluorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20676770
N-[2-[4-[(cyclohexylamino)-hydroxymethyl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 142169213
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 10179766

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide (CID 157043527) is N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3ccc(Nc4ccnc(C)c4)cc3[nH]2)cc1.
What is the InChIKey of N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?
The InChIKey is SRZQQAOLEDJWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-13-11-18(9-10-22-13)24-17-7-8-19-20(12-17)26-21(25-19)15-3-5-16(6-4-15)23-14(2)27/h3-12H,1-2H3,(H,22,24)(H,23,27)(H,25,26).
What are the key properties of N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?
N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide has a molecular weight of 357.42 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 157043527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).