N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide

C19H28N4O — CID 660499

IUPACN-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide
SMILESCN(C)CCCn1c(NC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C19H28N4O/c1-22(2)13-8-14-23-17-12-7-6-11-16(17)20-19(23)21-18(24)15-9-4-3-5-10-15/h6-7,11-12,15H,3-5,8-10,13-14H2,1-2H3,(H,20,21,24)
InChIKeyZDBUAKRDJWNFCB-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.51
Rot. Bonds6

About N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide

N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide (PubChem CID 660499) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide
PubChem CID660499
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide
SMILESCN(C)CCCn1c(NC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C19H28N4O/c1-22(2)13-8-14-23-17-12-7-6-11-16(17)20-19(23)21-18(24)15-9-4-3-5-10-15/h6-7,11-12,15H,3-5,8-10,13-14H2,1-2H3,(H,20,21,24)
InChIKeyZDBUAKRDJWNFCB-UHFFFAOYSA-N
XLogP3.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide (CID 660499) is N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide is CN(C)CCCn1c(NC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide?
The InChIKey is ZDBUAKRDJWNFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-22(2)13-8-14-23-17-12-7-6-11-16(17)20-19(23)21-18(24)15-9-4-3-5-10-15/h6-7,11-12,15H,3-5,8-10,13-14H2,1-2H3,(H,20,21,24).
What are the key properties of N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide?
N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 660499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).