2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide

C19H29N5O — CID 25190742

IUPAC2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide
SMILESCCN(CC)CCN1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C19H29N5O/c1-3-23(4-2)12-13-24-10-8-14(9-11-24)19-21-16-7-5-6-15(18(20)25)17(16)22-19/h5-7,14H,3-4,8-13H2,1-2H3,(H2,20,25)(H,21,22)
InChIKeyYFWKBYJZGLOJSM-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.18
Rot. Bonds7

About 2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide

2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 25190742) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide
PubChem CID25190742
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide
SMILESCCN(CC)CCN1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C19H29N5O/c1-3-23(4-2)12-13-24-10-8-14(9-11-24)19-21-16-7-5-6-15(18(20)25)17(16)22-19/h5-7,14H,3-4,8-13H2,1-2H3,(H2,20,25)(H,21,22)
InChIKeyYFWKBYJZGLOJSM-UHFFFAOYSA-N
XLogP2.18
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide (CID 25190742) is 2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide is CCN(CC)CCN1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1.
What is the InChIKey of 2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is YFWKBYJZGLOJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-3-23(4-2)12-13-24-10-8-14(9-11-24)19-21-16-7-5-6-15(18(20)25)17(16)22-19/h5-7,14H,3-4,8-13H2,1-2H3,(H2,20,25)(H,21,22).
What are the key properties of 2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).