1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole

C12H16N2 — CID 89012734

IUPAC1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole
SMILESCC1=NC2C=CC=CC2N1CC1CC1
InChIInChI=1S/C12H16N2/c1-9-13-11-4-2-3-5-12(11)14(9)8-10-6-7-10/h2-5,10-12H,6-8H2,1H3
InChIKeyOSECEVOOYCYVRZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.99
Rot. Bonds2

About 1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole

1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole (PubChem CID 89012734) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole
PubChem CID89012734
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole
SMILESCC1=NC2C=CC=CC2N1CC1CC1
InChIInChI=1S/C12H16N2/c1-9-13-11-4-2-3-5-12(11)14(9)8-10-6-7-10/h2-5,10-12H,6-8H2,1H3
InChIKeyOSECEVOOYCYVRZ-UHFFFAOYSA-N
XLogP1.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-8-prop-2-enyl-2,3,5,6-tetrahydroimidazo[1,2-a]pyridine
CID 10797372
1,2-Dimethyl-3a,7a-dihydrobenzimidazole
CID 57550427
2-Ethyl-1-methyl-3a,7a-dihydrobenzimidazole
CID 59197950
1-Butyl-3-methyl-3a,7a-dihydrobenzimidazol-3-ium
CID 68200892
2,3,7a-trimethyl-3aH-benzimidazole
CID 70330879
1-Cyclohexa-2,4-dien-1-yl-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 70856815
3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 71018206
1-Cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole
CID 89012739
2-Methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole
CID 89144272
1-Tert-butyl-3a,7a-dihydrobenzimidazole
CID 90246666
1-(2-Ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole
CID 90924335
1,2-Dimethyl-3a,7a-dihydrobenzimidazole;ethane
CID 91124359

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole?
The IUPAC name of 1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole (CID 89012734) is 1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole is CC1=NC2C=CC=CC2N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole?
The InChIKey is OSECEVOOYCYVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-13-11-4-2-3-5-12(11)14(9)8-10-6-7-10/h2-5,10-12H,6-8H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole?
1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole has a molecular weight of 188.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-methyl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 89012734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).