N-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine

C25H31N3 — CID 59135490

IUPACN-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine
SMILESCc1ccc2c(c1)nc(C)n2C1CCC(NCC2Cc3ccccc3C2)CC1
InChIInChI=1S/C25H31N3/c1-17-7-12-25-24(13-17)27-18(2)28(25)23-10-8-22(9-11-23)26-16-19-14-20-5-3-4-6-21(20)15-19/h3-7,12-13,19,22-23,26H,8-11,14-16H2,1-2H3
InChIKeyXQGMWWQPAFPQSB-UHFFFAOYSA-N
MW373.54 g/mol
LogP5.14
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine

N-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine (PubChem CID 59135490) has the molecular formula C25H31N3 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine
PubChem CID59135490
Molecular FormulaC25H31N3
Molecular Weight373.54 g/mol
Exact Mass373.25
IUPAC NameN-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine
SMILESCc1ccc2c(c1)nc(C)n2C1CCC(NCC2Cc3ccccc3C2)CC1
InChIInChI=1S/C25H31N3/c1-17-7-12-25-24(13-17)27-18(2)28(25)23-10-8-22(9-11-23)26-16-19-14-20-5-3-4-6-21(20)15-19/h3-7,12-13,19,22-23,26H,8-11,14-16H2,1-2H3
InChIKeyXQGMWWQPAFPQSB-UHFFFAOYSA-N
XLogP5.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine (CID 59135490) is N-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine is Cc1ccc2c(c1)nc(C)n2C1CCC(NCC2Cc3ccccc3C2)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine?
The InChIKey is XQGMWWQPAFPQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3/c1-17-7-12-25-24(13-17)27-18(2)28(25)23-10-8-22(9-11-23)26-16-19-14-20-5-3-4-6-21(20)15-19/h3-7,12-13,19,22-23,26H,8-11,14-16H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine?
N-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine has a molecular weight of 373.54 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 59135490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).