N-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide

C17H18Cl2N4O2 — CID 70242563

IUPACN-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide
SMILESCOc1cccc2c1NC(C(=O)Nc1c(Cl)cncc1Cl)(C(C)C)N2
InChIInChI=1S/C17H18Cl2N4O2/c1-9(2)17(16(24)21-14-10(18)7-20-8-11(14)19)22-12-5-4-6-13(25-3)15(12)23-17/h4-9,22-23H,1-3H3,(H,20,21,24)
InChIKeyZGDXLGOVLZQBCE-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.23
Rot. Bonds4

About N-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide

N-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide (PubChem CID 70242563) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide
PubChem CID70242563
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide
SMILESCOc1cccc2c1NC(C(=O)Nc1c(Cl)cncc1Cl)(C(C)C)N2
InChIInChI=1S/C17H18Cl2N4O2/c1-9(2)17(16(24)21-14-10(18)7-20-8-11(14)19)22-12-5-4-6-13(25-3)15(12)23-17/h4-9,22-23H,1-3H3,(H,20,21,24)
InChIKeyZGDXLGOVLZQBCE-UHFFFAOYSA-N
XLogP4.23
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide with MolForge

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide
CID 70242559
N-(2,6-dichlorophenyl)-2,6-dimethoxybenzamide
CID 3653582
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 22663199
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 22734346
4-chloro-5-methoxyisoquinoline
CID 119083808
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 22734457
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide
CID 22663247
N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(2-methylprop-1-enyl)benzamide
CID 54167545
N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide
CID 139836002
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide
CID 22734027
N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide
CID 54422123
3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 66462846

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide (CID 70242563) is N-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide is COc1cccc2c1NC(C(=O)Nc1c(Cl)cncc1Cl)(C(C)C)N2.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide?
The InChIKey is ZGDXLGOVLZQBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-9(2)17(16(24)21-14-10(18)7-20-8-11(14)19)22-12-5-4-6-13(25-3)15(12)23-17/h4-9,22-23H,1-3H3,(H,20,21,24).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide has a molecular weight of 381.26 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide is sourced from PubChem (CID 70242563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).