1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide

C17H18N4O — CID 122192066

IUPAC1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide
SMILESNCCCn1c(-c2ccccc2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C17H18N4O/c18-9-4-10-21-15-8-7-13(16(19)22)11-14(15)20-17(21)12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10,18H2,(H2,19,22)
InChIKeyBFYCMYOVFCLUBF-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.15
Rot. Bonds5

About 1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide

1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide (PubChem CID 122192066) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide
PubChem CID122192066
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide
SMILESNCCCn1c(-c2ccccc2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C17H18N4O/c18-9-4-10-21-15-8-7-13(16(19)22)11-14(15)20-17(21)12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10,18H2,(H2,19,22)
InChIKeyBFYCMYOVFCLUBF-UHFFFAOYSA-N
XLogP2.15
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide (CID 122192066) is 1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide is NCCCn1c(-c2ccccc2)nc2cc(C(N)=O)ccc21.
What is the InChIKey of 1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide?
The InChIKey is BFYCMYOVFCLUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c18-9-4-10-21-15-8-7-13(16(19)22)11-14(15)20-17(21)12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10,18H2,(H2,19,22).
What are the key properties of 1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide?
1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 122192066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).