2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine

C18H19N7 — CID 141002897

IUPAC2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine
SMILESCC(c1nc2ccc(N=C(N)N)cc2[nH]1)c1nc2ccccc2n1C
InChIInChI=1S/C18H19N7/c1-10(17-24-13-5-3-4-6-15(13)25(17)2)16-22-12-8-7-11(21-18(19)20)9-14(12)23-16/h3-10H,1-2H3,(H,22,23)(H4,19,20,21)
InChIKeyOSQBWTYRASSUSX-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.51
Rot. Bonds3

About 2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine

2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine (PubChem CID 141002897) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine.

Molecular Properties

Compound Name2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine
PubChem CID141002897
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine
SMILESCC(c1nc2ccc(N=C(N)N)cc2[nH]1)c1nc2ccccc2n1C
InChIInChI=1S/C18H19N7/c1-10(17-24-13-5-3-4-6-15(13)25(17)2)16-22-12-8-7-11(21-18(19)20)9-14(12)23-16/h3-10H,1-2H3,(H,22,23)(H4,19,20,21)
InChIKeyOSQBWTYRASSUSX-UHFFFAOYSA-N
XLogP2.51
TPSA110.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine 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

2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine
CID 141002899
2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine
CID 164615291
2-[1-(6-fluoro-5-phenylmethoxy-1H-benzimidazol-2-yl)ethyl]-3-methylbenzimidazole-5-carboxylic acid
CID 54184518
2-[2-[4-[6-(diaminomethylideneamino)-1-methylbenzimidazol-2-yl]phenyl]-3-methylbenzimidazol-5-yl]guanidine
CID 138649265
2-(2-ethoxycarbonylphenoxy)ethyl 2-[1-[6-(diaminomethylideneamino)-1H-benzimidazol-2-yl]ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 18537772
N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide
CID 59210445
2-[3-[[2-[1-[6-(diaminomethylideneamino)-1H-benzimidazol-2-yl]ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propoxy]benzoic acid
CID 10165938
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43545364
2-[1-[6-(2-aminoimidazol-1-yl)-1H-benzimidazol-2-yl]ethyl]-3-methyl-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide
CID 18537931
N'-(1-methylbenzimidazol-2-yl)ethanimidamide
CID 144505597
2-[2-[[2-[1-[6-(1-aminocyclopropyl)-1H-benzimidazol-2-yl]ethyl]-3-methylbenzimidazole-5-carbonyl]amino]ethoxy]benzoic acid
CID 18537893
1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid
CID 23453414

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine?
The IUPAC name of 2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine (CID 141002897) is 2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine.
What is the SMILES notation for 2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine?
The canonical SMILES for 2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine is CC(c1nc2ccc(N=C(N)N)cc2[nH]1)c1nc2ccccc2n1C.
What is the InChIKey of 2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine?
The InChIKey is OSQBWTYRASSUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-10(17-24-13-5-3-4-6-15(13)25(17)2)16-22-12-8-7-11(21-18(19)20)9-14(12)23-16/h3-10H,1-2H3,(H,22,23)(H4,19,20,21).
What are the key properties of 2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine?
2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine has a molecular weight of 333.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine is sourced from PubChem (CID 141002897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).