N-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide

C19H21ClN6O — CID 118228893

IUPACN-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccnnc3)n(C3CCCCNC3)c2c1Cl
InChIInChI=1S/C19H21ClN6O/c1-12-5-6-15-17(16(12)20)26(14-4-2-3-8-21-11-14)19(24-15)25-18(27)13-7-9-22-23-10-13/h5-7,9-10,14,21H,2-4,8,11H2,1H3,(H,24,25,27)
InChIKeyQNFCPIUSNPNBSU-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.36
Rot. Bonds3

About N-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide

N-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide (PubChem CID 118228893) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide
PubChem CID118228893
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC NameN-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccnnc3)n(C3CCCCNC3)c2c1Cl
InChIInChI=1S/C19H21ClN6O/c1-12-5-6-15-17(16(12)20)26(14-4-2-3-8-21-11-14)19(24-15)25-18(27)13-7-9-22-23-10-13/h5-7,9-10,14,21H,2-4,8,11H2,1H3,(H,24,25,27)
InChIKeyQNFCPIUSNPNBSU-UHFFFAOYSA-N
XLogP3.36
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[7-chloro-1-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide
CID 118228921
N-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide
CID 118223792
N-[7-chloro-1-[1-[(E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]benzimidazol-2-yl]pyridazine-4-carboxamide
CID 118224061
4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide
CID 90045123
tert-butyl 3-[7-chloro-6-methoxy-2-[(2-methylpyridine-4-carbonyl)amino]benzimidazol-1-yl]azepane-1-carboxylate
CID 123878928
N-[1-(1-but-2-enoylazepan-3-yl)-7-chloro-6-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-2-methylpyridine-4-carboxamide
CID 140679986
N-[1-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methylbenzimidazol-2-yl]-6-methylpyridazine-4-carboxamide
CID 118224030
N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide
CID 104671340
N-[1-[(3R)-azepan-3-yl]-7-chloro-5-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide;tert-butyl (3R)-3-[7-chloro-5-methyl-2-[(2-methylpyridine-4-carbonyl)amino]benzimidazol-1-yl]azepane-1-carboxylate;N-[7-chloro-5-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;ethenyl formate;methane
CID 161177092
5,6-dichloro-N-[1-[1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methylbenzimidazol-2-yl]pyridine-3-carboxamide
CID 154175150
N-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide
CID 118223783
N-[1-[1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methylbenzimidazol-2-yl]benzamide
CID 123539475

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide?
The IUPAC name of N-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide (CID 118228893) is N-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide?
The canonical SMILES for N-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide is Cc1ccc2nc(NC(=O)c3ccnnc3)n(C3CCCCNC3)c2c1Cl.
What is the InChIKey of N-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide?
The InChIKey is QNFCPIUSNPNBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O/c1-12-5-6-15-17(16(12)20)26(14-4-2-3-8-21-11-14)19(24-15)25-18(27)13-7-9-22-23-10-13/h5-7,9-10,14,21H,2-4,8,11H2,1H3,(H,24,25,27).
What are the key properties of N-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide?
N-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 118228893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).