N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide

C17H18Cl2N4O2 — CID 70242559

IUPACN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide
SMILESCOc1cccc2c1N(C(=O)Nc1c(Cl)cncc1Cl)C(C(C)C)N2
InChIInChI=1S/C17H18Cl2N4O2/c1-9(2)16-21-12-5-4-6-13(25-3)15(12)23(16)17(24)22-14-10(18)7-20-8-11(14)19/h4-9,16,21H,1-3H3,(H,20,22,24)
InChIKeyLRLBHGLDXMCCLJ-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.84
Rot. Bonds3

About N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide

N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide (PubChem CID 70242559) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide
PubChem CID70242559
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide
SMILESCOc1cccc2c1N(C(=O)Nc1c(Cl)cncc1Cl)C(C(C)C)N2
InChIInChI=1S/C17H18Cl2N4O2/c1-9(2)16-21-12-5-4-6-13(25-3)15(12)23(16)17(24)22-14-10(18)7-20-8-11(14)19/h4-9,16,21H,1-3H3,(H,20,22,24)
InChIKeyLRLBHGLDXMCCLJ-UHFFFAOYSA-N
XLogP4.84
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide (CID 70242559) is N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide is COc1cccc2c1N(C(=O)Nc1c(Cl)cncc1Cl)C(C(C)C)N2.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide?
The InChIKey is LRLBHGLDXMCCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-9(2)16-21-12-5-4-6-13(25-3)15(12)23(16)17(24)22-14-10(18)7-20-8-11(14)19/h4-9,16,21H,1-3H3,(H,20,22,24).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide has a molecular weight of 381.26 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-2,3-dihydrobenzimidazole-1-carboxamide is sourced from PubChem (CID 70242559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).