N-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide

C27H28N4O — CID 66562066

IUPACN-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide
SMILESCC(C)CNc1cc(-c2ccccc2)cc2c1ncn2-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C27H28N4O/c1-18(2)16-28-24-14-21(19-6-4-3-5-7-19)15-25-26(24)29-17-31(25)23-12-8-20(9-13-23)27(32)30-22-10-11-22/h3-9,12-15,17-18,22,28H,10-11,16H2,1-2H3,(H,30,32)
InChIKeyWFQNVXVCPSPGPD-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.65
Rot. Bonds7

About N-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide

N-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide (PubChem CID 66562066) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide
PubChem CID66562066
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC NameN-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide
SMILESCC(C)CNc1cc(-c2ccccc2)cc2c1ncn2-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C27H28N4O/c1-18(2)16-28-24-14-21(19-6-4-3-5-7-19)15-25-26(24)29-17-31(25)23-12-8-20(9-13-23)27(32)30-22-10-11-22/h3-9,12-15,17-18,22,28H,10-11,16H2,1-2H3,(H,30,32)
InChIKeyWFQNVXVCPSPGPD-UHFFFAOYSA-N
XLogP5.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide (CID 66562066) is N-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide is CC(C)CNc1cc(-c2ccccc2)cc2c1ncn2-c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide?
The InChIKey is WFQNVXVCPSPGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-18(2)16-28-24-14-21(19-6-4-3-5-7-19)15-25-26(24)29-17-31(25)23-12-8-20(9-13-23)27(32)30-22-10-11-22/h3-9,12-15,17-18,22,28H,10-11,16H2,1-2H3,(H,30,32).
What are the key properties of N-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide?
N-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide has a molecular weight of 424.55 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(2-methylpropylamino)-6-phenylbenzimidazol-1-yl]benzamide is sourced from PubChem (CID 66562066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).