2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide

C26H22ClN7O — CID 122473306

IUPAC2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc2c(c1)nc1n2C[C@@](NC(=O)c2ccc(-n3cnnc3)cc2Cl)(c2cccnc2)CC1
InChIInChI=1S/C26H22ClN7O/c1-17-4-7-23-22(11-17)31-24-8-9-26(14-34(23)24,18-3-2-10-28-13-18)32-25(35)20-6-5-19(12-21(20)27)33-15-29-30-16-33/h2-7,10-13,15-16H,8-9,14H2,1H3,(H,32,35)/t26-/m1/s1
InChIKeyFOLZKEJDKYEGDE-AREMUKBSSA-N
MW483.96 g/mol
LogP4.25
Rot. Bonds4

About 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 122473306) has the molecular formula C26H22ClN7O and a molecular weight of 483.96 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID122473306
Molecular FormulaC26H22ClN7O
Molecular Weight483.96 g/mol
Exact Mass483.16
IUPAC Name2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc2c(c1)nc1n2C[C@@](NC(=O)c2ccc(-n3cnnc3)cc2Cl)(c2cccnc2)CC1
InChIInChI=1S/C26H22ClN7O/c1-17-4-7-23-22(11-17)31-24-8-9-26(14-34(23)24,18-3-2-10-28-13-18)32-25(35)20-6-5-19(12-21(20)27)33-15-29-30-16-33/h2-7,10-13,15-16H,8-9,14H2,1H3,(H,32,35)/t26-/m1/s1
InChIKeyFOLZKEJDKYEGDE-AREMUKBSSA-N
XLogP4.25
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide (CID 122473306) is 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide is Cc1ccc2c(c1)nc1n2C[C@@](NC(=O)c2ccc(-n3cnnc3)cc2Cl)(c2cccnc2)CC1.
What is the InChIKey of 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is FOLZKEJDKYEGDE-AREMUKBSSA-N. The full InChI is InChI=1S/C26H22ClN7O/c1-17-4-7-23-22(11-17)31-24-8-9-26(14-34(23)24,18-3-2-10-28-13-18)32-25(35)20-6-5-19(12-21(20)27)33-15-29-30-16-33/h2-7,10-13,15-16H,8-9,14H2,1H3,(H,32,35)/t26-/m1/s1.
What are the key properties of 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 483.96 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-7-methyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 122473306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).