4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide

C18H16Cl3N3O — CID 130474693

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide
SMILESO=C(CCCc1nc2ccc(Cl)cc2[nH]1)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl3N3O/c19-12-4-5-15-16(9-12)24-17(23-15)2-1-3-18(25)22-10-11-6-13(20)8-14(21)7-11/h4-9H,1-3,10H2,(H,22,25)(H,23,24)
InChIKeyXFNNIULTHBDKLB-UHFFFAOYSA-N
MW396.71 g/mol
LogP5.16
Rot. Bonds6

About 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide

4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide (PubChem CID 130474693) has the molecular formula C18H16Cl3N3O and a molecular weight of 396.71 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide
PubChem CID130474693
Molecular FormulaC18H16Cl3N3O
Molecular Weight396.71 g/mol
Exact Mass395.04
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide
SMILESO=C(CCCc1nc2ccc(Cl)cc2[nH]1)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl3N3O/c19-12-4-5-15-16(9-12)24-17(23-15)2-1-3-18(25)22-10-11-6-13(20)8-14(21)7-11/h4-9H,1-3,10H2,(H,22,25)(H,23,24)
InChIKeyXFNNIULTHBDKLB-UHFFFAOYSA-N
XLogP5.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.71
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
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2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 77089678
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-pyridin-3-ylacetamide
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(E)-4-[3-(6-chloro-1H-benzimidazol-2-yl)propanoylamino]-N-methylbut-2-enamide
CID 122246979
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 77078873
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride
CID 154909809
4-(6-bromo-1H-benzimidazol-2-yl)-1-(3,5-dichlorophenyl)butan-2-one
CID 147940187
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
3-[2-[3-[(6-chloro-1H-benzimidazol-2-yl)methylamino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91768834
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide (CID 130474693) is 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide is O=C(CCCc1nc2ccc(Cl)cc2[nH]1)NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide?
The InChIKey is XFNNIULTHBDKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3N3O/c19-12-4-5-15-16(9-12)24-17(23-15)2-1-3-18(25)22-10-11-6-13(20)8-14(21)7-11/h4-9H,1-3,10H2,(H,22,25)(H,23,24).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide?
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide has a molecular weight of 396.71 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide is sourced from PubChem (CID 130474693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).