4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine

C18H23N5 — CID 89291114

IUPAC4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine
SMILESCNc1ccc(C(C)(C)NCc2nc3ccccc3[nH]2)cc1N
InChIInChI=1S/C18H23N5/c1-18(2,12-8-9-14(20-3)13(19)10-12)21-11-17-22-15-6-4-5-7-16(15)23-17/h4-10,20-21H,11,19H2,1-3H3,(H,22,23)
InChIKeyJUTJNSLZBVAFBV-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.21
Rot. Bonds5

About 4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine

4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine (PubChem CID 89291114) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine
PubChem CID89291114
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine
SMILESCNc1ccc(C(C)(C)NCc2nc3ccccc3[nH]2)cc1N
InChIInChI=1S/C18H23N5/c1-18(2,12-8-9-14(20-3)13(19)10-12)21-11-17-22-15-6-4-5-7-16(15)23-17/h4-10,20-21H,11,19H2,1-3H3,(H,22,23)
InChIKeyJUTJNSLZBVAFBV-UHFFFAOYSA-N
XLogP3.21
TPSA78.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
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CID 163425799
N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide
CID 110711606
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
CID 150607804
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827
N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 43816833
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
1-amino-3-(1H-benzimidazol-2-ylmethyl)thiourea
CID 13291870
N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide
CID 18105142
4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline
CID 59910528

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine (CID 89291114) is 4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine is CNc1ccc(C(C)(C)NCc2nc3ccccc3[nH]2)cc1N.
What is the InChIKey of 4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine?
The InChIKey is JUTJNSLZBVAFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-18(2,12-8-9-14(20-3)13(19)10-12)21-11-17-22-15-6-4-5-7-16(15)23-17/h4-10,20-21H,11,19H2,1-3H3,(H,22,23).
What are the key properties of 4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine?
4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine has a molecular weight of 309.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-benzimidazol-2-ylmethylamino)propan-2-yl]-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 89291114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).