1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol

C14H19N3O2 — CID 133409960

IUPAC1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol
SMILESOC(CNc1nc2ccccc2[nH]1)COCC1CC1
InChIInChI=1S/C14H19N3O2/c18-11(9-19-8-10-5-6-10)7-15-14-16-12-3-1-2-4-13(12)17-14/h1-4,10-11,18H,5-9H2,(H2,15,16,17)
InChIKeyFIDOPMQSOWGFNA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.76
Rot. Bonds7

About 1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol

1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol (PubChem CID 133409960) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol
PubChem CID133409960
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol
SMILESOC(CNc1nc2ccccc2[nH]1)COCC1CC1
InChIInChI=1S/C14H19N3O2/c18-11(9-19-8-10-5-6-10)7-15-14-16-12-3-1-2-4-13(12)17-14/h1-4,10-11,18H,5-9H2,(H2,15,16,17)
InChIKeyFIDOPMQSOWGFNA-UHFFFAOYSA-N
XLogP1.76
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol
CID 133301117
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol
CID 133410270
3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol
CID 178081091
1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778854
2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol
CID 133410382
N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71636788
1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60899301
1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol
CID 60900515
1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60899295
1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55200974

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol?
The IUPAC name of 1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol (CID 133409960) is 1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol?
The canonical SMILES for 1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol is OC(CNc1nc2ccccc2[nH]1)COCC1CC1.
What is the InChIKey of 1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol?
The InChIKey is FIDOPMQSOWGFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-11(9-19-8-10-5-6-10)7-15-14-16-12-3-1-2-4-13(12)17-14/h1-4,10-11,18H,5-9H2,(H2,15,16,17).
What are the key properties of 1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol?
1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol has a molecular weight of 261.32 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol is sourced from PubChem (CID 133409960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).