N-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide

C28H30ClN3O3 — CID 18511823

IUPACN-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide
SMILESCOc1ccc(-n2c(CN(C(=O)c3c(C)cc(OC)cc3C)C(C)C)nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C28H30ClN3O3/c1-17(2)31(28(33)27-18(3)13-23(35-6)14-19(27)4)16-26-30-24-12-7-20(29)15-25(24)32(26)21-8-10-22(34-5)11-9-21/h7-15,17H,16H2,1-6H3
InChIKeyKAAZPCHLYWHHAQ-UHFFFAOYSA-N
MW492.02 g/mol
LogP6.36
Rot. Bonds7

About N-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide

N-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide (PubChem CID 18511823) has the molecular formula C28H30ClN3O3 and a molecular weight of 492.02 g/mol. Its IUPAC name is N-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide
PubChem CID18511823
Molecular FormulaC28H30ClN3O3
Molecular Weight492.02 g/mol
Exact Mass491.20
IUPAC NameN-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide
SMILESCOc1ccc(-n2c(CN(C(=O)c3c(C)cc(OC)cc3C)C(C)C)nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C28H30ClN3O3/c1-17(2)31(28(33)27-18(3)13-23(35-6)14-19(27)4)16-26-30-24-12-7-20(29)15-25(24)32(26)21-8-10-22(34-5)11-9-21/h7-15,17H,16H2,1-6H3
InChIKeyKAAZPCHLYWHHAQ-UHFFFAOYSA-N
XLogP6.36
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.02
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide (CID 18511823) is N-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide is COc1ccc(-n2c(CN(C(=O)c3c(C)cc(OC)cc3C)C(C)C)nc3ccc(Cl)cc32)cc1.
What is the InChIKey of N-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide?
The InChIKey is KAAZPCHLYWHHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O3/c1-17(2)31(28(33)27-18(3)13-23(35-6)14-19(27)4)16-26-30-24-12-7-20(29)15-25(24)32(26)21-8-10-22(34-5)11-9-21/h7-15,17H,16H2,1-6H3.
What are the key properties of N-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide?
N-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide has a molecular weight of 492.02 g/mol, XLogP of 6.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]-4-methoxy-2,6-dimethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 18511823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).