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

C22H21ClN6O — CID 122473219

IUPAC2-chloro-N-[(2R)-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc2c(c1)nc1n2C[C@](C)(NC(=O)c2ccc(-n3cnnc3)cc2Cl)CC1
InChIInChI=1S/C22H21ClN6O/c1-14-3-6-19-18(9-14)26-20-7-8-22(2,11-29(19)20)27-21(30)16-5-4-15(10-17(16)23)28-12-24-25-13-28/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyRLNBVPHNFZLFDJ-JOCHJYFZSA-N
MW420.90 g/mol
LogP3.71
Rot. Bonds3

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

2-chloro-N-[(2R)-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 122473219) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-2,7-dimethyl-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-[(2R)-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID122473219
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC Name2-chloro-N-[(2R)-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc2c(c1)nc1n2C[C@](C)(NC(=O)c2ccc(-n3cnnc3)cc2Cl)CC1
InChIInChI=1S/C22H21ClN6O/c1-14-3-6-19-18(9-14)26-20-7-8-22(2,11-29(19)20)27-21(30)16-5-4-15(10-17(16)23)28-12-24-25-13-28/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyRLNBVPHNFZLFDJ-JOCHJYFZSA-N
XLogP3.71
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[(2R)-2,7-dimethyl-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-[(2R)-2,7-dimethyl-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-[(2R)-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide (CID 122473219) is 2-chloro-N-[(2R)-2,7-dimethyl-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-[(2R)-2,7-dimethyl-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-[(2R)-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide is Cc1ccc2c(c1)nc1n2C[C@](C)(NC(=O)c2ccc(-n3cnnc3)cc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[(2R)-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is RLNBVPHNFZLFDJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-14-3-6-19-18(9-14)26-20-7-8-22(2,11-29(19)20)27-21(30)16-5-4-15(10-17(16)23)28-12-24-25-13-28/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,27,30)/t22-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-[(2R)-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 420.90 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 122473219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).