N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine

C15H20N4 — CID 106600093

IUPACN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(N(CC3CCCN3)C3CC3)nc2c1
InChIInChI=1S/C15H20N4/c1-2-6-14-13(5-1)17-15(18-14)19(12-7-8-12)10-11-4-3-9-16-11/h1-2,5-6,11-12,16H,3-4,7-10H2,(H,17,18)
InChIKeyYPLXDFVWYUBGRF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.28
Rot. Bonds4

About N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine

N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine (PubChem CID 106600093) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine
PubChem CID106600093
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(N(CC3CCCN3)C3CC3)nc2c1
InChIInChI=1S/C15H20N4/c1-2-6-14-13(5-1)17-15(18-14)19(12-7-8-12)10-11-4-3-9-16-11/h1-2,5-6,11-12,16H,3-4,7-10H2,(H,17,18)
InChIKeyYPLXDFVWYUBGRF-UHFFFAOYSA-N
XLogP2.28
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine 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

N-cyclopropyl-N-(piperidin-2-ylmethyl)-1,2,4-benzotriazin-3-amine
CID 106641209
N-cyclopropyl-N-(piperidin-2-ylmethyl)quinoxalin-2-amine
CID 106641225
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2,1-benzothiazol-3-amine
CID 106641159
2-[(S)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]-1H-benzimidazole
CID 97166285
2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole
CID 97165961
N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine
CID 106640940
N-cyclobutyl-N-methyl-1H-benzimidazol-2-amine
CID 115143834
N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71636788
6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine
CID 106620594
(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 166508327
N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71642448
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 104974145

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine (CID 106600093) is N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine is c1ccc2[nH]c(N(CC3CCCN3)C3CC3)nc2c1.
What is the InChIKey of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine?
The InChIKey is YPLXDFVWYUBGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-6-14-13(5-1)17-15(18-14)19(12-7-8-12)10-11-4-3-9-16-11/h1-2,5-6,11-12,16H,3-4,7-10H2,(H,17,18).
What are the key properties of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine?
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine has a molecular weight of 256.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 106600093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).