1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide

C14H22IN5 — CID 111033682

IUPAC1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCC(C)C/N=C(\N)NCCc1nc2ccccc2[nH]1.I
InChIInChI=1S/C14H21N5.HI/c1-10(2)9-17-14(15)16-8-7-13-18-11-5-3-4-6-12(11)19-13;/h3-6,10H,7-9H2,1-2H3,(H,18,19)(H3,15,16,17);1H
InChIKeyOWBOQJWNQGDRCQ-UHFFFAOYSA-N
MW387.27 g/mol
LogP2.28
Rot. Bonds5

About 1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide

1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 111033682) has the molecular formula C14H22IN5 and a molecular weight of 387.27 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
PubChem CID111033682
Molecular FormulaC14H22IN5
Molecular Weight387.27 g/mol
Exact Mass387.09
IUPAC Name1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCC(C)C/N=C(\N)NCCc1nc2ccccc2[nH]1.I
InChIInChI=1S/C14H21N5.HI/c1-10(2)9-17-14(15)16-8-7-13-18-11-5-3-4-6-12(11)19-13;/h3-6,10H,7-9H2,1-2H3,(H,18,19)(H3,15,16,17);1H
InChIKeyOWBOQJWNQGDRCQ-UHFFFAOYSA-N
XLogP2.28
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide 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

(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 110978308
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111033735
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-3-(4-methylpentyl)guanidine
CID 111943417
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine
CID 111342749
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682541
ethyl 2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoacetate
CID 110461546
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylguanidine;hydroiodide
CID 111033686
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835126
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide (CID 111033682) is 1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide is CC(C)C/N=C(\N)NCCc1nc2ccccc2[nH]1.I.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is OWBOQJWNQGDRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5.HI/c1-10(2)9-17-14(15)16-8-7-13-18-11-5-3-4-6-12(11)19-13;/h3-6,10H,7-9H2,1-2H3,(H,18,19)(H3,15,16,17);1H.
What are the key properties of 1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 387.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111033682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).