1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide

C15H21N5O — CID 18428242

IUPAC1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide
SMILESNCCn1c(C2CCCNC2)nc2c(C(N)=O)cccc21
InChIInChI=1S/C15H21N5O/c16-6-8-20-12-5-1-4-11(14(17)21)13(12)19-15(20)10-3-2-7-18-9-10/h1,4-5,10,18H,2-3,6-9,16H2,(H2,17,21)
InChIKeyBTUHWTIYUPCKFX-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.56
Rot. Bonds4

About 1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide

1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide (PubChem CID 18428242) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide
PubChem CID18428242
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide
SMILESNCCn1c(C2CCCNC2)nc2c(C(N)=O)cccc21
InChIInChI=1S/C15H21N5O/c16-6-8-20-12-5-1-4-11(14(17)21)13(12)19-15(20)10-3-2-7-18-9-10/h1,4-5,10,18H,2-3,6-9,16H2,(H2,17,21)
InChIKeyBTUHWTIYUPCKFX-UHFFFAOYSA-N
XLogP0.56
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide
CID 18428060
2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide
CID 18428071
ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 176571066
2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 154588359
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole-4-carboxamide
CID 18428086
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid
CID 118451760
2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide
CID 25190722
1-propan-2-yl-2-(1-propylpiperidin-3-yl)benzimidazole-4-carboxamide
CID 18428057
2-(1,4-diazepan-1-yl)-1-[2-(dimethylamino)ethyl]benzimidazole-4-carboxamide
CID 18428154
2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171925444
1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide
CID 18428172
5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252921

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide (CID 18428242) is 1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide is NCCn1c(C2CCCNC2)nc2c(C(N)=O)cccc21.
What is the InChIKey of 1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide?
The InChIKey is BTUHWTIYUPCKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c16-6-8-20-12-5-1-4-11(14(17)21)13(12)19-15(20)10-3-2-7-18-9-10/h1,4-5,10,18H,2-3,6-9,16H2,(H2,17,21).
What are the key properties of 1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide?
1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide is sourced from PubChem (CID 18428242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).